(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C19H26N4O2 — CID 95271780

IUPAC(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1
InChIInChI=1S/C19H26N4O2/c1-15(19(24)21-9-11-25-12-10-21)22-8-4-5-16(13-22)23-14-20-17-6-2-3-7-18(17)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t15-,16-/m0/s1
InChIKeyHAKZVYYWMGUSKV-HOTGVXAUSA-N
MW342.44 g/mol
LogP1.92
Rot. Bonds3

About (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95271780) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95271780
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1
InChIInChI=1S/C19H26N4O2/c1-15(19(24)21-9-11-25-12-10-21)22-8-4-5-16(13-22)23-14-20-17-6-2-3-7-18(17)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t15-,16-/m0/s1
InChIKeyHAKZVYYWMGUSKV-HOTGVXAUSA-N
XLogP1.92
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95271780) is (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HAKZVYYWMGUSKV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(19(24)21-9-11-25-12-10-21)22-8-4-5-16(13-22)23-14-20-17-6-2-3-7-18(17)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95271780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).